SCHEMBL5567693

SCHEMBL5567693

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2Nc2ccccc2)cc(OC)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PLAU P00749 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.43
EPHX2 P34913 1/20 0.43
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5567822 0.93 NR1H4 (0.48) MAPTSMN1; SMN2PLAUMEN1KMT2A
SCHEMBL5563878 0.92 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5567873 0.89 PPARG (0.46) MAPTSMN1; SMN2PLAUMEN1KMT2A
SCHEMBL5563201 0.87 HDAC8 (0.51) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5568349 0.87 PPARG (0.44) MAPTSMN1; SMN2PLAUMEN1KMT2A
SCHEMBL5568033 0.86 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5567364 0.85 RXFP1 (0.49) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5567376 0.85 MEN1 (0.51) MAPTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5568097 0.85 PPARG (0.42) MAPTSMN1; SMN2PLAUMEN1KMT2A
SCHEMBL5054227 0.85 RXFP1 (0.46) MAPTSMN1; SMN2MEN1KMT2ARXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO claimed
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US disclosed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US disclosed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 MAPT 4008/4885SMN1; SMN2 2712/4885PLAU 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.